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Compound Detail

CHEMBL422723

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CC(=O)C1CCC(C(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1

Basic Information

ChEMBL ID CHEMBL422723
Phase Preclinical
Structure Type MOL
InChI Key GYYWBOZTAUCCFO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

466.0
MW (Da)
4.46
ALogP
4
HBA
0
HBD
53.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32ClN3O2
MW 466.03
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.77

Activity Summary

IC50 2 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.91 5.61 1240.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9526562 10.1021/jm970462w Protein farnesyltransferase 2
9526562 10.1021/jm970462w geranylgeranyltransferase type-I 1

Data from ChEMBL 36 via Core Engine